CID 90421397

5-fluoro-3-methoxy-2-nitroaniline

Structural Information

Molecular Formula
C7H7FN2O3
SMILES
COC1=CC(=CC(=C1[N+](=O)[O-])N)F
InChI
InChI=1S/C7H7FN2O3/c1-13-6-3-4(8)2-5(9)7(6)10(11)12/h2-3H,9H2,1H3
InChIKey
CDBVQSPCFPKING-UHFFFAOYSA-N
Compound name
5-fluoro-3-methoxy-2-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

186.04407 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05135 132.1
[M+Na]+ 209.03329 141.1
[M-H]- 185.03679 135.0
[M+NH4]+ 204.07789 151.1
[M+K]+ 225.00723 135.5
[M+H-H2O]+ 169.04133 130.2
[M+HCOO]- 231.04227 158.1
[M+CH3COO]- 245.05792 178.7
[M+Na-2H]- 207.01874 139.0
[M]+ 186.04352 129.9
[M]- 186.04462 129.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe